Dihydroxyphenylisoindoline amides as orally bioavailable inhibitors of the heat shock protein 90 (hsp90) molecular chaperone

J Med Chem. 2010 Jan 14;53(1):499-503. doi: 10.1021/jm901209q.

Abstract

The discovery and optimization of potency and metabolic stability of a novel class of dihyroxyphenylisoindoline amides as Hsp90 inhibitors are presented. Optimization of a screening hit using structure-based design and modification of log D and chemical structural features led to the identification of a class of orally bioavailable non-quinone-containing Hsp90 inhibitors. This class is exemplified by 14 and 15, which possess improved cell potency and pharmacokinetic profiles compared with the original screening hit.

MeSH terms

  • Amides / chemistry
  • Amides / pharmacology*
  • Biological Availability
  • Cell Line
  • Crystallography, X-Ray
  • HSP90 Heat-Shock Proteins / antagonists & inhibitors*
  • Humans
  • Isoindoles / chemistry*
  • Models, Molecular
  • Molecular Conformation
  • Stereoisomerism
  • Structure-Activity Relationship

Substances

  • Amides
  • HSP90 Heat-Shock Proteins
  • Isoindoles

Associated data

  • PDB/3K97
  • PDB/3K98
  • PDB/3K99